RefChem:349859
TL;DR: RefChem:349859 (CAS 17656-71-2) is a chemical compound with molecular formula C20H22N2O and molecular weight 306.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,10,10-trimethyl-9,14b-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: 5,10,10-trimethyl-9,14b-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one, 6,7,9,10-Tetrahydro-5,10,10-trimethyl-5H-isoquino(2,1-d)(1,4)benzodiazepin-6-one, Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-5,10,10-trimethyl-, 5,9,10,14b-Tetrahydro-5,10,10-trimethylisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one, 5,10,10-Trimethyl-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one
| Molecular Formula | C20H22N2O |
|---|---|
| Molecular Weight | 306.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.17322 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 17656-71-2 |
|---|---|
| SMILES | CC1(CN2CC(=O)N(C3=CC=CC=C3C2C4=CC=CC=C41)C)C |
| InChIKey | ZPXJMHQDJQARQT-UHFFFAOYSA-N |
Product Overview
RefChem:349859 (CAS 17656-71-2), with molecular formula C20H22N2O and molecular weight 306.17 g/mol. IUPAC: 5,10,10-trimethyl-9,14b-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:349859
Property Insights of RefChem:349859
The XLogP value of 3.5 indicates that RefChem:349859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:349859 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349859 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349859?
The CAS number of RefChem:349859 is 17656-71-2.
What is the molecular formula of RefChem:349859?
The molecular formula of RefChem:349859 is C20H22N2O.
What is the molecular weight of RefChem:349859?
The molecular weight of RefChem:349859 is 306.17 g/mol.
Where can I buy RefChem:349859?
You can request a quote for RefChem:349859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.